Geometry & MOs

Info

ID:	40772
PubChem CID:	8144676
Reduced:	OSCl2N4C17H22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	425.168108
ΔH_f, kcal/mol:	0.22
Dipole, Da:	3.46
IP(EA), eV:	-8.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-5-piperidin-1-ylsulfonylbenzimidazole-2-thione

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN(C1=S)CN2CCOCC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations